1,1-dibromobutan-1-ol

C4H8Br2O — CID 71356671

IUPAC1,1-dibromobutan-1-ol
SMILESCCCC(O)(Br)Br
InChIInChI=1S/C4H8Br2O/c1-2-3-4(5,6)7/h7H,2-3H2,1H3
InChIKeyGFDMFNHILIXEGU-UHFFFAOYSA-N
MW231.91 g/mol
LogP2.22
Rot. Bonds2

About 1,1-dibromobutan-1-ol

1,1-dibromobutan-1-ol (PubChem CID 71356671) has the molecular formula C4H8Br2O and a molecular weight of 231.91 g/mol. Its IUPAC name is 1,1-dibromobutan-1-ol.

Molecular Properties

Compound Name1,1-dibromobutan-1-ol
PubChem CID71356671
Molecular FormulaC4H8Br2O
Molecular Weight231.91 g/mol
Exact Mass229.89
IUPAC Name1,1-dibromobutan-1-ol
SMILESCCCC(O)(Br)Br
InChIInChI=1S/C4H8Br2O/c1-2-3-4(5,6)7/h7H,2-3H2,1H3
InChIKeyGFDMFNHILIXEGU-UHFFFAOYSA-N
XLogP2.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.91
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1-dibromobutan-1-ol?
The IUPAC name of 1,1-dibromobutan-1-ol (CID 71356671) is 1,1-dibromobutan-1-ol.
What is the SMILES notation for 1,1-dibromobutan-1-ol?
The canonical SMILES for 1,1-dibromobutan-1-ol is CCCC(O)(Br)Br.
What is the InChIKey of 1,1-dibromobutan-1-ol?
The InChIKey is GFDMFNHILIXEGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8Br2O/c1-2-3-4(5,6)7/h7H,2-3H2,1H3.
What are the key properties of 1,1-dibromobutan-1-ol?
1,1-dibromobutan-1-ol has a molecular weight of 231.91 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dibromobutan-1-ol is sourced from PubChem (CID 71356671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).